chempirical

tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate

C11H20N2O2CAS 127199-44-4212.29 g/mol

Open in Covalent MOL file
OOHNNH
CarbamateSecondary amine

Properties

Molecular formula
C11H20N2O2
Molar mass
212.29 g/mol
Exact mass
212.1525 Da
logP
1.26Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
127199-44-4
SMILES
CC(C)(C)OC(=O)N[C@H]1CNCC12CC2
InChIKey
CGEBPOMWRHSMLI-QMMMGPOBSA-N
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Carbamic acid, (7R)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9ci)

Work with tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(S)-3-(Boc-amino)pyrrolidine122536-76-955 % similar tert-Butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate1009075-44-849 % similar exo-3-Boc-aminotropane132234-68-549 % similar Boc-trans-4-aminocyclohexanol111300-06-248 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-646 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-245 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-145 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-2 (S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane127199-45-5 Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-6 tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-8 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 Brivaracetam357336-20-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook